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CAS 170893-02-4 1H-Indole-3-aceticacid,7-fluoro-(9CI) molecular structure lightbox
CAS RN: 170893-02-4

1H-Indole-3-aceticacid,7-fluoro-(9CI)

  • Product code: SSC-075267
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 170893-02-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 5 In Stock Hong Kong Inquiry
0.25g ≥97% 5 In Stock Shenzhen Inquiry
1g ≥97% 5 In Stock Shenzhen Inquiry

170893-02-4 / 2-(7-fluoro-1H-indol-3-yl)acetic acid

Standard CAS: 170893-02-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
170893-02-4
Multi CAS
No
Molecular Formula
C10H8FNO2
Molecular Weight
193.170000
Exact Mass
193.053907
SMILES
C1=CC2=C(C(=C1)F)NC=C2CC(=O)O
InChI
InChI=1S/C10H8FNO2/c11-8-3-1-2-7-6(4-9(13)14)5-12-10(7)8/h1-3,5,12H,4H2,(H,13,14)
InChIKey
MXEHCUNCVQVBQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
49.6
TPSA
53.09

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.6
Consensus LogP
1.74
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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